Geometry & MOs

Info

ID:	72539
PubChem CID:	48416283
Reduced:	N2O5C21H30 (1)
Stoich.:	A2B5C21D30 (1)
Weight, g/mol:	415.197043
ΔH_f, kcal/mol:	-226.31
Dipole, Da:	6.91
IP(EA), eV:	-8.8(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2CC(=O)N(C2)C(C)C)C(=O)OC

DOS

IR

Vibrations